SCHEMBL23797192

SCHEMBL23797192

CCCCOC(CCCC)N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23797177 0.94 OPRM1 (0.34) FDPS
SCHEMBL23797186 0.93 FDPS (0.36) FDPS
SCHEMBL23797195 0.93 FDPS (0.36) FDPS
SCHEMBL23797184 0.93 FDPS (0.36) FDPS
SCHEMBL22444833 0.92 FDPS (0.32) FDPS
SCHEMBL23797174 0.92 CYP3A4 (0.30) CYP3A4
SCHEMBL28919267 0.89 DNM1 (0.39) FDPS
SCHEMBL28919272 0.89 DNM1 (0.39) FDPS
SCHEMBL28919264 0.89 DNM1 (0.39) FDPS
SCHEMBL28961538 0.89 DNM1 (0.39) FDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4118161-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2023-01-18 EP disclosed
WO-2021180709-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 WO disclosed
EP-3878914-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2021-09-15 EP disclosed